4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol

C18H14ClN5O — CID 16737905

IUPAC4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
SMILESOc1ccc(Cc2nnc3ccc(Nc4ccc(Cl)cc4)nn23)cc1
InChIInChI=1S/C18H14ClN5O/c19-13-3-5-14(6-4-13)20-16-9-10-17-21-22-18(24(17)23-16)11-12-1-7-15(25)8-2-12/h1-10,25H,11H2,(H,20,23)
InChIKeyNCZNKOFISGYXSR-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.82
Rot. Bonds4

About 4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol

4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol (PubChem CID 16737905) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is 4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
PubChem CID16737905
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC Name4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
SMILESOc1ccc(Cc2nnc3ccc(Nc4ccc(Cl)cc4)nn23)cc1
InChIInChI=1S/C18H14ClN5O/c19-13-3-5-14(6-4-13)20-16-9-10-17-21-22-18(24(17)23-16)11-12-1-7-15(25)8-2-12/h1-10,25H,11H2,(H,20,23)
InChIKeyNCZNKOFISGYXSR-UHFFFAOYSA-N
XLogP3.82
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol with MolForge

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Related Compounds

4-((6-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
4-{4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenol
CID 135402835
9-chloro-2-(4-hydroxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)one
CID 135736241
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 57691336
2-[5-Chloro-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenol
CID 162648003
6-amino-1-(4-chlorophenyl)-4-(3,4-dihydroxyphenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 4887540
4-[2-(2-Amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol
CID 118706212
Phenol, 2-(5-((4-chlorophenyl)amino)-4-phenyl-4H-1,2,4-triazol-3-yl)-
CID 3068018
4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
CID 155539013
4-[(E)-[[3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]hydrazinylidene]methyl]phenol
CID 172448876
2,7-Diamino-5-(2-chlorophenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 172463711
4-[5-(3-Chloro-4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 59662485

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The IUPAC name of 4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol (CID 16737905) is 4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The canonical SMILES for 4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol is Oc1ccc(Cc2nnc3ccc(Nc4ccc(Cl)cc4)nn23)cc1.
What is the InChIKey of 4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The InChIKey is NCZNKOFISGYXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c19-13-3-5-14(6-4-13)20-16-9-10-17-21-22-18(24(17)23-16)11-12-1-7-15(25)8-2-12/h1-10,25H,11H2,(H,20,23).
What are the key properties of 4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol has a molecular weight of 351.80 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol is sourced from PubChem (CID 16737905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).